B4A1LM -OEChem-04022104473D 28 31 0 0 0 0 0 0 0999 V2000 -2.1237 -2.1025 0.0439 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 2.9416 0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 0.8963 0.0856 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9313 -2.2823 0.1238 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 2.2511 -0.0438 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 0.0954 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -1.0922 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.0001 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -0.7435 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 1.4295 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4689 0.5506 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2759 -1.2789 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 1.6711 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 -2.4251 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9224 -0.0249 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6364 -1.3072 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 1.4207 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -1.4585 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -1.2656 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -3.3637 -0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -2.5423 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 0.4508 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 -0.2378 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0222 1.8894 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4703 -2.0075 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5115 -1.1007 -1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 1.7308 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2917 3.5726 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 24 1 0 0 0 0 4 7 2 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$